Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.2213    0.7553   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    0.9342    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527   -0.1203    0.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859   -0.4990    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -1.6895    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6767   -2.0771    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -1.3346   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -0.1636   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225    0.2298   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    1.5052   -0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002   -0.2411   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    1.5510   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    1.9831    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -2.2324    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -2.9940    1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4889   -1.6818   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328    0.4408   -1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335    1.8833   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1972    2.3335   -0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088    1.4172   -1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers